6NT2
type 1 PRMT in complex with the inhibitor GSK3368715
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 21-ID-D |
Synchrotron site | APS |
Beamline | 21-ID-D |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2013-08-09 |
Detector | MARRESEARCH |
Wavelength(s) | 1.0000 |
Spacegroup name | P 41 21 2 |
Unit cell lengths | 174.150, 174.150, 142.350 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 38.940 - 2.480 |
R-factor | 0.19183 |
Rwork | 0.190 |
R-free | 0.22169 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.007 |
RMSD bond angle | 1.196 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0189) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 38.940 | 2.510 |
High resolution limit [Å] | 2.480 | 2.480 |
Rmerge | 0.179 | 0.961 |
Rmeas | 0.189 | 1.013 |
Rpim | 0.060 | 0.319 |
Number of reflections | 77777 | 57208 |
<I/σ(I)> | 12.7 | 2.7 |
Completeness [%] | 100.0 | 100 |
Redundancy | 9.9 | 10.1 |
CC(1/2) | 0.996 | 0.810 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 291 | SAH and inhibitor were added to PRMT1 to a final concentration of 1.5mM each (3% DMSO). The complex was incubated at 4deg C before crystallization. 1uL protein-ligand complex was mixed with 1 uL of reservoir solution containing 0.3M sodium formate, 0.1M HEPES, 8% PEG 10,000, pH 6.5, and 0.2 uL 30% sodium dextran sulfate Mr=5,000). The droplets were incubated against 500uL reservoir solution for 1-2 days before crystals were observed. |